CID 3302950

477334-26-2

Structural Information

Molecular Formula
C19H23NO
SMILES
CC1=CC=C(C=C1)C(=O)CCNC2=CC=C(C=C2)C(C)C
InChI
InChI=1S/C19H23NO/c1-14(2)16-8-10-18(11-9-16)20-13-12-19(21)17-6-4-15(3)5-7-17/h4-11,14,20H,12-13H2,1-3H3
InChIKey
FVJWGQSHSZDMAP-UHFFFAOYSA-N
Compound name
1-(4-methylphenyl)-3-(4-propan-2-ylanilino)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.17798 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.185256 169.1
[M+Na]+ 304.167198 174.2
[M-H]- 280.170704 175.4
[M+NH4]+ 299.211803 184.6
[M+K]+ 320.141138 170.1
[M+H-H2O]+ 264.175240 161.0
[M+HCOO]- 326.176181 191.2
[M+CH3COO]- 340.191831 207.1
[M+Na-2H]- 302.152646 171.0
[M]+ 281.17743142 169.5
[M]- 281.17852858 169.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.